[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane

C44H30O3P2 — CID 71503823

IUPAC[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane
SMILESc1ccc(-c2cccc(P(c3ccccc3)c3ccccc3)c2Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C44H30O3P2/c1-4-15-31(16-5-1)38-25-14-26-41(48(34-19-6-2-7-20-34)35-21-8-3-9-22-35)44(38)47-49-45-39-29-27-32-17-10-12-23-36(32)42(39)43-37-24-13-11-18-33(37)28-30-40(43)46-49/h1-30H
InChIKeyRVTQHQLBDWSOBO-UHFFFAOYSA-N
MW668.67 g/mol
LogP11.86
Rot. Bonds6

About [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane

[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane (PubChem CID 71503823) has the molecular formula C44H30O3P2 and a molecular weight of 668.67 g/mol. Its IUPAC name is [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane
PubChem CID71503823
Molecular FormulaC44H30O3P2
Molecular Weight668.67 g/mol
Exact Mass668.17
IUPAC Name[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane
SMILESc1ccc(-c2cccc(P(c3ccccc3)c3ccccc3)c2Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C44H30O3P2/c1-4-15-31(16-5-1)38-25-14-26-41(48(34-19-6-2-7-20-34)35-21-8-3-9-22-35)44(38)47-49-45-39-29-27-32-17-10-12-23-36(32)42(39)43-37-24-13-11-18-33(37)28-30-40(43)46-49/h1-30H
InChIKeyRVTQHQLBDWSOBO-UHFFFAOYSA-N
XLogP11.86
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.67
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane with MolForge

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Related Compounds

13-[[19-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-4,18-diphenyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl]oxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 20606120
[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-6-ethenylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 54223302
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
[4-[2-[2-[2-[2-[2-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-diphenylphosphane
CID 122226258
[2-butyl-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-2H-quinolin-8-yl]-diphenylphosphane
CID 164671720
13-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)phenyl]phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 10931126
[2-[(2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)oxy]-3-phenylphenyl]-diphenylphosphane
CID 75292460
diphenyl-[4-(12-phenylbenzo[k]fluoranthen-7-yl)naphthalen-1-yl]phosphane
CID 144896174
13-benzyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 101201599
2-diphenylphosphanyl-8-phenylnaphthalen-1-ol
CID 171398165
[3-butyl-1-[3-butyl-2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-diphenylphosphane
CID 70956112
benzo[k]fluoranthen-3-yl-phenyl-(3-phenylphenyl)phosphane
CID 144896423

Frequently Asked Questions

What is the IUPAC name of [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane?
The IUPAC name of [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane (CID 71503823) is [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane?
The canonical SMILES for [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane is c1ccc(-c2cccc(P(c3ccccc3)c3ccccc3)c2Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1.
What is the InChIKey of [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane?
The InChIKey is RVTQHQLBDWSOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O3P2/c1-4-15-31(16-5-1)38-25-14-26-41(48(34-19-6-2-7-20-34)35-21-8-3-9-22-35)44(38)47-49-45-39-29-27-32-17-10-12-23-36(32)42(39)43-37-24-13-11-18-33(37)28-30-40(43)46-49/h1-30H.
What are the key properties of [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane?
[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane has a molecular weight of 668.67 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)-3-phenylphenyl]-diphenylphosphane is sourced from PubChem (CID 71503823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).